55L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.21Å | 1.25Å | |
| O24 | C22 | sing | 1.34Å | 1.25Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| O34 | C33 | doub | 1.21Å | 1.25Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C33 | O35 | sing | 1.34Å | 1.25Å | |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| C19 | C71 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C71 | C9 | sing | 1.51Å | 1.51Å | |
| C20 | N25 | sing | 1.35Å | 1.33Å | |
| C20 | O30 | doub | 1.21Å | 1.22Å | |
| C31 | C26 | sing | 1.53Å | 1.54Å | |
| N25 | C26 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.42Å | 1.41Å | Aromatic |
| C9 | O10 | sing | 1.34Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | N11 | doub | 1.31Å | 1.35Å | Aromatic |
| O10 | N11 | sing | 1.21Å | 1.32Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | O36 | doub | 1.21Å | 1.23Å | |
| C27 | N28 | sing | 1.35Å | 1.33Å | |
| N39 | C37 | sing | 1.35Å | 1.33Å | |
| C3 | C12 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N28 | C29 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | O38 | doub | 1.21Å | 1.22Å | |
| C37 | C29 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | CL | sing | 1.74Å | 1.78Å | |
| C29 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| O43 | C42 | doub | 1.21Å | 1.26Å | |
| C42 | O44 | sing | 1.34Å | 1.25Å | |
| O44 | H1 | sing | 0.97Å | 0.95Å | |
| C41 | H2 | sing | 1.09Å | 1.10Å | |
| C41 | H3 | sing | 1.09Å | 1.10Å | |
| C40 | H4 | sing | 1.09Å | 1.10Å | |
| C40 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| N39 | H7 | sing | 0.97Å | 1.00Å | |
| N39 | H8 | sing | 0.97Å | 1.00Å | |
| N28 | H9 | sing | 0.97Å | 1.00Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| O35 | H15 | sing | 0.97Å | 0.95Å | |
| N25 | H16 | sing | 0.97Å | 1.00Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| O24 | H20 | sing | 0.97Å | 0.95Å | |
| C71 | H21 | sing | 1.09Å | 1.10Å | |
| C71 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | H24 | sing | 1.08Å | 1.08Å | |
| C2 | H25 | sing | 1.08Å | 1.08Å | |
| C5 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| C17 | H28 | sing | 1.08Å | 1.08Å | |
| C13 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å | |
| C15 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | O24 | 121.5° | 120.0° |
| O23 | C22 | C21 | 119.6° | 120.0° |
| O24 | C22 | C21 | 118.9° | 120.0° |
| C22 | O24 | H20 | 109.5° | 117.0° |
| C22 | C21 | C19 | 111.3° | 109.5° |
| C22 | C21 | H18 | 109.0° | 109.5° |
| C22 | C21 | H19 | 109.0° | 109.4° |
| O34 | C33 | O35 | 121.9° | 120.0° |
| O34 | C33 | C32 | 117.8° | 120.0° |
| C21 | C19 | C71 | 107.2° | 109.5° |
| C21 | C19 | C20 | 107.1° | 109.5° |
| C21 | C19 | H17 | 111.2° | 109.5° |
| C19 | C21 | H18 | 109.0° | 109.5° |
| C19 | C21 | H19 | 109.0° | 109.5° |
| O35 | C33 | C32 | 120.3° | 120.0° |
| C33 | O35 | H15 | 109.5° | 117.0° |
| C33 | C32 | C31 | 112.1° | 109.4° |
| C33 | C32 | H13 | 108.8° | 109.5° |
| C33 | C32 | H14 | 108.8° | 109.5° |
| C71 | C19 | C20 | 108.2° | 109.5° |
| C19 | C71 | C9 | 118.7° | 109.5° |
| C71 | C19 | H17 | 111.3° | 109.4° |
| C19 | C71 | H21 | 107.1° | 109.5° |
| C19 | C71 | H22 | 107.1° | 109.5° |
| C19 | C20 | N25 | 117.9° | 120.0° |
| C19 | C20 | O30 | 120.6° | 120.0° |
| C20 | C19 | H17 | 111.7° | 109.5° |
| C32 | C31 | C26 | 113.3° | 109.5° |
| C32 | C31 | H11 | 108.5° | 109.5° |
| C32 | C31 | H12 | 108.5° | 109.5° |
| C31 | C32 | H13 | 108.8° | 109.4° |
| C31 | C32 | H14 | 108.8° | 109.5° |
| C71 | C9 | C8 | 133.0° | 126.6° |
| C71 | C9 | O10 | 123.0° | 126.6° |
| C9 | C71 | H21 | 107.1° | 109.5° |
| C9 | C71 | H22 | 107.1° | 109.4° |
| N25 | C20 | O30 | 121.5° | 120.0° |
| C20 | N25 | C26 | 119.6° | 120.0° |
| C20 | N25 | H16 | 120.2° | 120.0° |
| C31 | C26 | N25 | 112.9° | 109.5° |
| C31 | C26 | C27 | 112.3° | 109.5° |
| C31 | C26 | H10 | 106.2° | 109.5° |
| C26 | C31 | H11 | 108.5° | 109.5° |
| C26 | C31 | H12 | 108.5° | 109.4° |
| N25 | C26 | C27 | 111.1° | 109.4° |
| N25 | C26 | H10 | 107.2° | 109.5° |
| C26 | N25 | H16 | 120.3° | 120.0° |
| C9 | C8 | C7 | 106.7° | 104.0° |
| C8 | C9 | O10 | 104.0° | 106.7° |
| C9 | C8 | H23 | 126.7° | 128.1° |
| C8 | C7 | C6 | 129.3° | 127.0° |
| C8 | C7 | N11 | 109.1° | 106.1° |
| C7 | C8 | H23 | 126.6° | 128.0° |
| C9 | O10 | N11 | 114.7° | 111.8° |
| C26 | C27 | O36 | 120.4° | 120.0° |
| C26 | C27 | N28 | 116.1° | 119.9° |
| C27 | C26 | H10 | 106.7° | 109.5° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C5 | C4 | C3 | 120.1° | 120.0° |
| C4 | C5 | H26 | 120.1° | 120.0° |
| C5 | C4 | H27 | 120.0° | 120.0° |
| C5 | C6 | C7 | 122.1° | 120.0° |
| C5 | C6 | C1 | 119.8° | 120.0° |
| C6 | C5 | H26 | 120.1° | 120.0° |
| C6 | C7 | N11 | 121.5° | 126.9° |
| C7 | C6 | C1 | 118.0° | 120.0° |
| C7 | N11 | O10 | 105.4° | 111.4° |
| C4 | C3 | C12 | 118.2° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C3 | C4 | H27 | 119.9° | 120.0° |
| C6 | C1 | C2 | 120.8° | 120.0° |
| C6 | C1 | H24 | 119.6° | 120.0° |
| O36 | C27 | N28 | 123.4° | 120.0° |
| C27 | N28 | C29 | 122.9° | 119.9° |
| C27 | N28 | H9 | 118.5° | 120.0° |
| N39 | C37 | O38 | 121.9° | 120.0° |
| N39 | C37 | C29 | 118.7° | 120.0° |
| C37 | N39 | H7 | 120.0° | 120.0° |
| C37 | N39 | H8 | 120.0° | 120.0° |
| C12 | C3 | C2 | 121.1° | 120.0° |
| C3 | C12 | C13 | 119.8° | 120.1° |
| C3 | C12 | C17 | 120.2° | 120.1° |
| C3 | C2 | C1 | 118.8° | 120.0° |
| C3 | C2 | H25 | 120.6° | 120.0° |
| C2 | C1 | H24 | 119.6° | 120.0° |
| C1 | C2 | H25 | 120.6° | 120.0° |
| N28 | C29 | C37 | 113.4° | 109.5° |
| N28 | C29 | C40 | 109.2° | 109.5° |
| N28 | C29 | H6 | 110.1° | 109.5° |
| C29 | N28 | H9 | 118.6° | 120.0° |
| C13 | C12 | C17 | 120.0° | 119.8° |
| C12 | C13 | C14 | 120.6° | 119.9° |
| C12 | C13 | H29 | 119.7° | 120.0° |
| C12 | C17 | C16 | 119.2° | 119.9° |
| C12 | C17 | H28 | 120.4° | 120.1° |
| C13 | C14 | C15 | 119.6° | 120.1° |
| C14 | C13 | H29 | 119.7° | 120.1° |
| C13 | C14 | H30 | 120.2° | 119.9° |
| C17 | C16 | C15 | 121.2° | 120.1° |
| C17 | C16 | CL | 119.6° | 119.9° |
| C16 | C17 | H28 | 120.4° | 120.1° |
| C14 | C15 | C16 | 119.5° | 120.3° |
| C15 | C14 | H30 | 120.2° | 119.9° |
| C14 | C15 | H31 | 120.3° | 119.9° |
| O38 | C37 | C29 | 119.4° | 120.0° |
| C37 | C29 | C40 | 105.4° | 109.4° |
| C37 | C29 | H6 | 109.4° | 109.5° |
| C15 | C16 | CL | 119.2° | 120.0° |
| C16 | C15 | H31 | 120.3° | 119.8° |
| C29 | C40 | C41 | 115.2° | 109.5° |
| C29 | C40 | H4 | 108.0° | 109.5° |
| C29 | C40 | H5 | 108.0° | 109.5° |
| C40 | C29 | H6 | 109.3° | 109.5° |
| C40 | C41 | C42 | 104.7° | 109.5° |
| C40 | C41 | H2 | 110.6° | 109.5° |
| C40 | C41 | H3 | 110.7° | 109.4° |
| C41 | C40 | H4 | 108.0° | 109.5° |
| C41 | C40 | H5 | 108.0° | 109.4° |
| C41 | C42 | O43 | 119.2° | 120.0° |
| C41 | C42 | O44 | 118.4° | 120.0° |
| C42 | C41 | H2 | 110.6° | 109.5° |
| C42 | C41 | H3 | 110.6° | 109.5° |
| O43 | C42 | O44 | 122.4° | 120.0° |
| C42 | O44 | H1 | 109.5° | 117.0° |
| H2 | C41 | H3 | 109.5° | 109.5° |
| H4 | C40 | H5 | 109.5° | 109.5° |
| H7 | N39 | H8 | 120.0° | 120.0° |
| H11 | C31 | H12 | 109.5° | 109.5° |
| H13 | C32 | H14 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H21 | C71 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | O24 | C21 | 179.9° | 180.0° |
| O23 | C22 | C21 | C19 | 76.9° | 3.1° |
| O23 | C22 | C21 | H18 | 162.8° | 116.9° |
| O23 | C22 | C21 | H19 | 43.3° | 123.1° |
| O23 | C22 | O24 | H20 | 0.0° | 0.0° |
| O24 | C22 | C21 | C19 | 103.0° | 176.9° |
| O24 | C22 | C21 | H18 | 17.3° | 63.1° |
| O24 | C22 | C21 | H19 | 136.8° | 57.0° |
| C22 | C21 | C19 | H18 | 120.3° | 120.0° |
| C22 | C21 | C19 | H19 | 120.3° | 120.0° |
| C22 | C21 | C19 | C71 | 70.5° | 61.3° |
| C22 | C21 | C19 | C20 | 173.6° | 58.7° |
| C22 | C21 | C19 | H17 | 51.3° | 178.7° |
| C22 | C21 | H18 | H19 | 119.2° | 120.0° |
| C21 | C22 | O24 | H20 | 180.0° | 180.0° |
| O34 | C33 | O35 | C32 | 179.6° | 180.0° |
| O34 | C33 | C32 | C31 | 134.4° | 0.0° |
| O34 | C33 | C32 | H13 | 105.2° | 119.9° |
| O34 | C33 | C32 | H14 | 14.0° | 120.0° |
| O34 | C33 | O35 | H15 | 0.0° | 0.0° |
| C21 | C19 | C71 | C20 | 115.3° | 120.0° |
| C21 | C19 | C71 | H17 | 121.8° | 120.0° |
| C21 | C19 | C20 | H17 | 121.9° | 120.0° |
| C21 | C19 | C71 | C9 | 159.3° | 64.7° |
| C21 | C19 | C20 | N25 | 114.5° | 60.0° |
| C21 | C19 | C20 | O30 | 64.7° | 120.0° |
| C19 | C21 | H18 | H19 | 119.1° | 120.0° |
| C21 | C19 | C71 | H21 | 38.0° | 55.3° |
| C21 | C19 | C71 | H22 | 79.4° | 175.3° |
| O35 | C33 | C32 | C31 | 46.0° | 180.0° |
| O35 | C33 | C32 | H13 | 74.3° | 60.1° |
| O35 | C33 | C32 | H14 | 166.4° | 60.0° |
| C33 | C32 | C31 | H13 | 120.4° | 120.0° |
| C33 | C32 | C31 | H14 | 120.4° | 120.0° |
| C33 | C32 | C31 | C26 | 176.6° | 180.0° |
| C33 | C32 | C31 | H11 | 56.0° | 60.0° |
| C33 | C32 | C31 | H12 | 62.8° | 60.0° |
| C33 | C32 | H13 | H14 | 118.8° | 120.1° |
| C32 | C33 | O35 | H15 | 179.5° | 180.0° |
| C71 | C19 | C20 | H17 | 122.7° | 120.0° |
| C19 | C71 | C9 | H21 | 121.3° | 120.0° |
| C19 | C71 | C9 | H22 | 121.3° | 120.0° |
| C71 | C19 | C20 | N25 | 130.2° | 180.0° |
| C71 | C19 | C20 | O30 | 50.6° | 0.0° |
| C19 | C71 | C9 | C8 | 36.6° | 88.2° |
| C19 | C71 | C9 | O10 | 147.3° | 92.2° |
| C71 | C19 | C21 | H18 | 49.7° | 58.7° |
| C71 | C19 | C21 | H19 | 169.2° | 178.7° |
| C19 | C71 | H21 | H22 | 115.9° | 120.0° |
| C20 | C19 | C71 | C9 | 85.5° | 175.3° |
| C19 | C20 | N25 | O30 | 179.2° | 180.0° |
| C19 | C20 | N25 | C26 | 170.1° | 179.9° |
| C19 | C20 | N25 | H16 | 9.9° | 0.0° |
| C20 | C19 | C21 | H18 | 66.2° | 178.7° |
| C20 | C19 | C21 | H19 | 53.3° | 61.2° |
| C20 | C19 | C71 | H21 | 153.2° | 64.7° |
| C20 | C19 | C71 | H22 | 35.8° | 55.3° |
| C32 | C31 | C26 | H11 | 120.6° | 120.0° |
| C32 | C31 | C26 | H12 | 120.6° | 120.0° |
| C32 | C31 | C26 | N25 | 60.6° | 65.0° |
| C32 | C31 | C26 | C27 | 66.0° | 175.0° |
| C32 | C31 | C26 | H10 | 177.7° | 55.0° |
| C32 | C31 | H11 | H12 | 118.2° | 120.1° |
| C31 | C32 | H13 | H14 | 118.8° | 120.0° |
| C71 | C9 | C8 | O10 | 176.7° | 179.7° |
| C71 | C9 | C8 | C7 | 178.2° | 179.9° |
| C71 | C9 | O10 | N11 | 178.3° | 180.0° |
| C9 | C71 | C19 | H17 | 37.5° | 55.3° |
| C9 | C71 | H21 | H22 | 115.8° | 120.0° |
| C71 | C9 | C8 | H23 | 1.8° | 0.0° |
| C20 | N25 | C26 | C31 | 104.7° | 85.0° |
| C20 | N25 | C26 | H16 | 180.0° | 180.0° |
| C20 | N25 | C26 | C27 | 128.1° | 155.0° |
| C20 | N25 | C26 | H10 | 11.9° | 35.1° |
| N25 | C20 | C19 | H17 | 7.4° | 60.0° |
| O30 | C20 | N25 | C26 | 9.1° | 0.0° |
| O30 | C20 | N25 | H16 | 170.9° | 180.0° |
| O30 | C20 | C19 | H17 | 173.4° | 120.0° |
| C31 | C26 | N25 | C27 | 127.2° | 120.0° |
| C31 | C26 | N25 | H10 | 116.6° | 120.0° |
| C31 | C26 | C27 | H10 | 116.0° | 120.1° |
| C31 | C26 | C27 | O36 | 109.4° | 120.0° |
| C31 | C26 | C27 | N28 | 71.6° | 60.0° |
| C26 | C31 | H11 | H12 | 118.2° | 119.9° |
| C26 | C31 | C32 | H13 | 63.0° | 60.0° |
| C26 | C31 | C32 | H14 | 56.2° | 60.0° |
| C31 | C26 | N25 | H16 | 75.3° | 95.0° |
| N25 | C26 | C27 | H10 | 116.5° | 119.9° |
| N25 | C26 | C27 | O36 | 18.2° | 0.0° |
| N25 | C26 | C27 | N28 | 160.8° | 180.0° |
| N25 | C26 | C31 | H11 | 60.0° | 55.0° |
| N25 | C26 | C31 | H12 | 178.8° | 175.0° |
| C9 | C8 | C7 | H23 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 178.9° | 180.0° |
| C9 | C8 | C7 | N11 | 1.4° | 0.1° |
| C8 | C9 | O10 | N11 | 1.2° | 0.3° |
| C8 | C9 | C71 | H21 | 84.8° | 31.8° |
| C8 | C9 | C71 | H22 | 157.9° | 151.8° |
| C7 | C8 | C9 | O10 | 1.5° | 0.2° |
| C8 | C7 | C6 | C5 | 0.9° | 0.3° |
| C8 | C7 | C6 | N11 | 177.2° | 179.8° |
| C8 | C7 | N11 | O10 | 0.7° | 0.0° |
| C8 | C7 | C6 | C1 | 176.1° | 180.0° |
| C9 | O10 | N11 | C7 | 0.3° | 0.2° |
| O10 | C9 | C71 | H21 | 91.4° | 147.8° |
| O10 | C9 | C71 | H22 | 25.9° | 27.8° |
| O10 | C9 | C8 | H23 | 178.5° | 179.7° |
| C26 | C27 | O36 | N28 | 179.0° | 180.0° |
| C26 | C27 | N28 | C29 | 168.6° | 180.0° |
| C26 | C27 | N28 | H9 | 11.4° | 0.0° |
| C27 | C26 | C31 | H11 | 173.4° | 65.0° |
| C27 | C26 | C31 | H12 | 54.5° | 55.0° |
| C27 | C26 | N25 | H16 | 51.9° | 25.0° |
| C4 | C5 | C6 | H26 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 178.7° | 179.9° |
| C5 | C4 | C3 | H27 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 1.8° | 0.2° |
| C5 | C4 | C3 | C12 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.4° |
| C5 | C6 | C7 | C1 | 176.9° | 179.7° |
| C5 | C6 | C7 | N11 | 178.1° | 179.9° |
| C6 | C5 | C4 | C3 | 1.0° | 0.1° |
| C5 | C6 | C1 | C2 | 1.6° | 0.3° |
| C5 | C6 | C1 | H24 | 178.4° | 179.8° |
| C6 | C5 | C4 | H27 | 179.0° | 180.0° |
| C6 | C7 | N11 | O10 | 178.4° | 179.8° |
| C7 | C6 | C1 | C2 | 178.6° | 180.0° |
| C6 | C7 | C8 | H23 | 1.1° | 0.1° |
| C7 | C6 | C1 | H24 | 1.4° | 0.0° |
| C7 | C6 | C5 | H26 | 1.3° | 0.0° |
| N11 | C7 | C6 | C1 | 1.1° | 0.2° |
| N11 | C7 | C8 | H23 | 178.6° | 179.8° |
| C4 | C3 | C12 | C2 | 179.6° | 179.6° |
| C4 | C3 | C2 | C1 | 0.3° | 0.4° |
| C4 | C3 | C12 | C13 | 45.1° | 179.9° |
| C4 | C3 | C12 | C17 | 133.3° | 0.3° |
| C4 | C3 | C2 | H25 | 179.7° | 179.6° |
| C3 | C4 | C5 | H26 | 179.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C6 | C1 | C2 | H24 | 180.0° | 180.0° |
| C6 | C1 | C2 | H25 | 179.5° | 180.0° |
| C1 | C6 | C5 | H26 | 178.2° | 179.7° |
| O36 | C27 | N28 | C29 | 12.4° | 0.0° |
| O36 | C27 | N28 | H9 | 167.6° | 180.0° |
| O36 | C27 | C26 | H10 | 134.7° | 120.0° |
| C27 | N28 | C29 | H9 | 180.0° | 179.9° |
| C27 | N28 | C29 | C37 | 55.2° | 85.1° |
| C27 | N28 | C29 | C40 | 172.4° | 155.0° |
| C27 | N28 | C29 | H6 | 67.7° | 35.0° |
| N28 | C27 | C26 | H10 | 44.4° | 60.0° |
| N39 | C37 | C29 | N28 | 47.0° | 180.0° |
| N39 | C37 | O38 | C29 | 178.8° | 179.9° |
| N39 | C37 | C29 | C40 | 72.4° | 60.1° |
| N39 | C37 | C29 | H6 | 170.2° | 60.0° |
| C37 | N39 | H7 | H8 | 180.0° | 180.0° |
| C12 | C3 | C2 | C1 | 179.9° | 179.9° |
| C3 | C12 | C13 | C17 | 178.4° | 179.7° |
| C3 | C12 | C13 | C14 | 179.5° | 179.9° |
| C3 | C12 | C17 | C16 | 179.4° | 180.0° |
| C12 | C3 | C2 | H25 | 0.1° | 0.1° |
| C12 | C3 | C4 | H27 | 0.3° | 0.1° |
| C3 | C12 | C17 | H28 | 0.6° | 0.1° |
| C3 | C12 | C13 | H29 | 0.5° | 0.0° |
| C3 | C2 | C1 | H25 | 180.0° | 180.0° |
| C2 | C3 | C12 | C13 | 135.3° | 0.3° |
| C2 | C3 | C12 | C17 | 46.3° | 179.9° |
| C3 | C2 | C1 | H24 | 179.4° | 180.0° |
| C2 | C3 | C4 | H27 | 179.9° | 179.7° |
| N28 | C29 | C37 | O38 | 134.2° | 0.1° |
| N28 | C29 | C37 | C40 | 119.4° | 119.9° |
| N28 | C29 | C37 | H6 | 123.3° | 120.1° |
| N28 | C29 | C40 | H6 | 120.4° | 120.0° |
| N28 | C29 | C40 | C41 | 83.2° | 65.0° |
| N28 | C29 | C40 | H4 | 37.7° | 175.0° |
| N28 | C29 | C40 | H5 | 156.0° | 54.9° |
| C12 | C13 | C14 | H29 | 180.0° | 179.9° |
| C13 | C12 | C17 | C16 | 1.0° | 0.2° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C12 | C17 | H28 | 179.0° | 179.8° |
| C12 | C13 | C14 | H30 | 179.4° | 180.0° |
| C17 | C12 | C13 | C14 | 1.1° | 0.2° |
| C12 | C17 | C16 | H28 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.4° | 0.0° |
| C12 | C17 | C16 | CL | 179.7° | 180.0° |
| C17 | C12 | C13 | H29 | 178.9° | 179.7° |
| C13 | C14 | C15 | H30 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.2° |
| C13 | C14 | C15 | H31 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.2° |
| C17 | C16 | C15 | CL | 179.9° | 180.0° |
| C17 | C16 | C15 | H31 | 179.9° | 180.0° |
| C14 | C15 | C16 | H31 | 180.0° | 179.8° |
| C14 | C15 | C16 | CL | 179.8° | 179.8° |
| C15 | C14 | C13 | H29 | 179.4° | 179.9° |
| O38 | C37 | C29 | C40 | 106.4° | 120.0° |
| O38 | C37 | C29 | H6 | 11.0° | 119.9° |
| O38 | C37 | N39 | H7 | 0.0° | 0.1° |
| O38 | C37 | N39 | H8 | 180.0° | 179.9° |
| C37 | C29 | C40 | H6 | 117.5° | 120.0° |
| C37 | C29 | C40 | C41 | 154.7° | 175.0° |
| C37 | C29 | C40 | H4 | 84.4° | 55.0° |
| C37 | C29 | C40 | H5 | 33.9° | 65.0° |
| C29 | C37 | N39 | H7 | 178.8° | 179.9° |
| C29 | C37 | N39 | H8 | 1.3° | 0.1° |
| C37 | C29 | N28 | H9 | 124.8° | 95.0° |
| C15 | C16 | C17 | H28 | 179.6° | 180.0° |
| C16 | C15 | C14 | H30 | 180.0° | 179.8° |
| CL | C16 | C17 | H28 | 0.3° | 0.0° |
| CL | C16 | C15 | H31 | 0.1° | 0.0° |
| C29 | C40 | C41 | H4 | 120.8° | 120.0° |
| C29 | C40 | C41 | H5 | 120.8° | 120.0° |
| C29 | C40 | C41 | C42 | 166.0° | 180.0° |
| C29 | C40 | C41 | H2 | 46.7° | 60.0° |
| C29 | C40 | C41 | H3 | 74.8° | 60.0° |
| C29 | C40 | H4 | H5 | 117.4° | 120.1° |
| C40 | C29 | N28 | H9 | 7.6° | 24.9° |
| C40 | C41 | C42 | H2 | 119.2° | 120.0° |
| C40 | C41 | C42 | H3 | 119.3° | 120.0° |
| C40 | C41 | C42 | O43 | 43.6° | 0.0° |
| C40 | C41 | C42 | O44 | 135.9° | 179.8° |
| C40 | C41 | H2 | H3 | 122.2° | 120.0° |
| C41 | C40 | H4 | H5 | 117.4° | 119.9° |
| C41 | C40 | C29 | H6 | 37.3° | 55.0° |
| C41 | C42 | O43 | O44 | 179.4° | 179.7° |
| C41 | C42 | O44 | H1 | 179.4° | 179.7° |
| C42 | C41 | H2 | H3 | 122.2° | 120.0° |
| C42 | C41 | C40 | H4 | 73.2° | 60.0° |
| C42 | C41 | C40 | H5 | 45.2° | 60.0° |
| O43 | C42 | O44 | H1 | 0.0° | 0.0° |
| O43 | C42 | C41 | H2 | 162.8° | 120.0° |
| O43 | C42 | C41 | H3 | 75.7° | 120.0° |
| O44 | C42 | C41 | H2 | 16.6° | 60.2° |
| O44 | C42 | C41 | H3 | 104.9° | 59.8° |
| H2 | C41 | C40 | H4 | 167.6° | 180.0° |
| H2 | C41 | C40 | H5 | 74.1° | 60.0° |
| H3 | C41 | C40 | H4 | 46.1° | 60.0° |
| H3 | C41 | C40 | H5 | 164.4° | 180.0° |
| H4 | C40 | C29 | H6 | 158.1° | 65.0° |
| H5 | C40 | C29 | H6 | 83.5° | 175.0° |
| H6 | C29 | N28 | H9 | 112.3° | 144.9° |
| H10 | C26 | C31 | H11 | 57.2° | 175.0° |
| H10 | C26 | C31 | H12 | 61.7° | 65.0° |
| H10 | C26 | N25 | H16 | 168.1° | 145.0° |
| H11 | C31 | C32 | H13 | 176.4° | 180.0° |
| H11 | C31 | C32 | H14 | 64.4° | 60.0° |
| H12 | C31 | C32 | H13 | 57.5° | 60.0° |
| H12 | C31 | C32 | H14 | 176.8° | 180.0° |
| H17 | C19 | C21 | H18 | 171.6° | 61.3° |
| H17 | C19 | C21 | H19 | 69.0° | 58.8° |
| H17 | C19 | C71 | H21 | 83.8° | 175.3° |
| H17 | C19 | C71 | H22 | 158.8° | 64.7° |
| H24 | C1 | C2 | H25 | 0.5° | 0.1° |
| H26 | C5 | C4 | H27 | 0.9° | 0.1° |
| H29 | C13 | C14 | H30 | 0.6° | 0.1° |
| H30 | C14 | C15 | H31 | 0.0° | 0.0° |
